octatriaconta-20,23,26,29,32-pentaenoic acid

C38H66O2 — CID 75955171

IUPACoctatriaconta-20,23,26,29,32-pentaenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C38H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-37H2,1H3,(H,39,40)
InChIKeyAXFLUKXDXHPZBO-UHFFFAOYSA-N
MW554.94 g/mol
LogP13.01
Rot. Bonds31

About octatriaconta-20,23,26,29,32-pentaenoic acid

octatriaconta-20,23,26,29,32-pentaenoic acid (PubChem CID 75955171) has the molecular formula C38H66O2 and a molecular weight of 554.94 g/mol. Its IUPAC name is octatriaconta-20,23,26,29,32-pentaenoic acid.

Molecular Properties

Compound Nameoctatriaconta-20,23,26,29,32-pentaenoic acid
PubChem CID75955171
Molecular FormulaC38H66O2
Molecular Weight554.94 g/mol
Exact Mass554.51
IUPAC Nameoctatriaconta-20,23,26,29,32-pentaenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C38H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-37H2,1H3,(H,39,40)
InChIKeyAXFLUKXDXHPZBO-UHFFFAOYSA-N
XLogP13.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.94
LogP ≤ 513.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z)-docosa-7,10,13,16-tetraenoic acid
CID 87131782
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800

Frequently Asked Questions

What is the IUPAC name of octatriaconta-20,23,26,29,32-pentaenoic acid?
The IUPAC name of octatriaconta-20,23,26,29,32-pentaenoic acid (CID 75955171) is octatriaconta-20,23,26,29,32-pentaenoic acid.
What is the SMILES notation for octatriaconta-20,23,26,29,32-pentaenoic acid?
The canonical SMILES for octatriaconta-20,23,26,29,32-pentaenoic acid is CCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of octatriaconta-20,23,26,29,32-pentaenoic acid?
The InChIKey is AXFLUKXDXHPZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-37H2,1H3,(H,39,40).
What are the key properties of octatriaconta-20,23,26,29,32-pentaenoic acid?
octatriaconta-20,23,26,29,32-pentaenoic acid has a molecular weight of 554.94 g/mol, XLogP of 13.01, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octatriaconta-20,23,26,29,32-pentaenoic acid is sourced from PubChem (CID 75955171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).